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  1. Third-Parties
  2. MatprojStructure
  3. mp-1133299

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1133299
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'V', 'Si', 'O']
  • Chemical System: Ca-O-Si-V
  • Density: 3.4232700853931366
  • Atomic Density: 0.0847718948712243
  • Unit Cell Volume: 235.92724959589137
  • Molar Volume: 7.103935530930555
  • Full Formula: Ca2 V2 Si4 O12
  • Reduced Formula: CaV(SiO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -166.02158986
  • Final energy per atom: -8.301079493
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.